IFLAB-ZINC04140242 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.0410 1.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3770 -2.4060 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.4760 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.9660 -1.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4980 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.4500 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -3.2610 -2.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -3.7450 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -3.3880 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -2.5350 -4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -2.0940 -3.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.1610 -5.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.2820 -5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -3.9040 -6.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4540 -4.9480 -6.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -3.2840 -6.5810 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9600 -4.5930 -3.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -2.6170 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -0.1020 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.1990 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -2.0770 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -3.5650 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.1500 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -0.1080 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.0620 -6.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -1.7580 -5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -0.3550 -5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 -4.8370 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -4.9420 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -2.2530 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -3.7060 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.3040 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END